Geometry & MOs

Info

ID:

341562

PubChem CID:

127264255

Reduced:

PdP3H54C60 (1)

Stoich.:

AB3C54D60 (1)

Weight, g/mol:

954.02076

ΔHf, kcal/mol:

320.92

Dipole, Da:

13.78

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 2.408437

Charge, e:

 2

Chem-info

IUPAC name:

dichloropalladium;[1-(2-diphenylphosphaniumyl-3-methylbenzimidazol-3-ium-1-yl)naphthalen-2-yl]-diphenylphosphanium;trifluoromethanesulfonate

Drug info:

PubChemData

Smile

C=CC1=CC=CC=C1[PH+](C2=CC=CC=C2)C3=CC=CC=C3.C=CC1=CC=CC=C1[PH+](C2=CC=CC=C2)C3=CC=CC=C3.C=CC1=CC=CC=C1[PH+](C2=CC=CC=C2)C3=CC=CC=C3.[Pd]

DOS

IR

Vibrations